2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; propyl N-(3-phenylsulfanylpropyl)carbamate

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; propyl N-(3-phenylsulfanylpropyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; propyl N-(3-phenylsulfanylpropyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-[3-(phenylthio)propyl]carbamic acid propyl ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; propyl N-(3-phenylsulfanylpropyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-[3-(phenylthio)propyl]carbamic acid propyl ester Formula: C26H37NO6S MolecularWeight: 491.64008

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)NCCCSC1=CC=CC=C1.CCOC1=CC=C(C=C1)CC(C(=O)O)OCC

Isomeric SMILES

CCCOC(=O)NCCCSC1=CC=CC=C1.CCOC1=CC=C(C=C1)CC(C(=O)O)OCC

InChI

InChI=1S/C13H19NO2S.C13H18O4/c1-2-10-16-13(15)14-9-6-11-17-12-7-4-3-5-8-12;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h3-5,7-8H,2,6,9-11H2,1H3,(H,14,15);5-8,12H,3-4,9H2,1-2H3,(H,14,15)